SCHEMBL2882799

SCHEMBL2882799

O=C1NC(=O)C(=Cc2ccc3c(c2)N(C(=O)O)C=CO3)S1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
RAB9A P51151 2/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
NPC1 O15118 1/20 0.51
PIM1 P11309 8/20 0.48
PIM2 Q9P1W9 8/20 0.48
PIM3 Q86V86 1/20 0.48
AKR1B1 P15121 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CISD1 Q9NZ45 3/20 0.46
IGF1R P08069 1/20 0.46
GPR35 Q9HC97 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12975573 0.84 GSK3B (0.46) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL2880302 0.84 GSK3B (0.46) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL212025 0.71 MYC (0.77) GSK3BRAB9APIM1PIM2PIM3
SCHEMBL5672232 0.71 MYC (0.77) GSK3BRAB9APIM1PIM2PIM3
SCHEMBL212026 0.71 MYC (0.77) GSK3BRAB9APIM1PIM2PIM3
SCHEMBL2877631 0.70 PIK3CG (0.60) GSK3BPIK3CG
SCHEMBL2882197 0.69 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL1249098 0.69 GSK3B (0.83) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL2882080 0.69 GSK3B (1.00) GSK3BRAB9APIK3CAPIK3CGNPC1
SCHEMBL29774248 0.69 GSK3B (0.69) GSK3BRAB9APIK3CAPIK3CGNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GSK3B 3188/4885RAB9A 1504/4885PIK3CA 559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.